Abstract
The parasitic reactions among trimethylaluminum (TMA), trimethylgallium (TMG), and NH3 obstruct the growth of AlGaN alloys in atmospheric pressure (AP) MOVPE. In this paper, we present quantum chemical calculations for the reaction of M(CH3)3 + NH3 systems (M = Al, Ga, and In for TMA, TMG, and TMI, respectively) in the gas phase. The calculations show that TMA helps the parasitic reactions to progress by orbital interaction effect. The detailed energetics and the possible reaction mechanisms of the parasitic reaction processes are discussed.
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